Information card for entry 7152581

Structure parameters

• Formula: C23 H24 O2
• Calculated formula: C23 H24 O2
• SMILES: CC1(C)c2c(ccc(c2)C#Cc2ccc(cc2)C(=O)OC)C(C)(C)C1
• Title of publication: Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.
• Authors of publication: Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 34
• Pages of publication: 6914 - 6929
• a: 20.5765 ± 0.0009 Å
• b: 11.1441 ± 0.0005 Å
• c: 8.1245 ± 0.0004 Å
• α: 90°
• β: 98.927 ± 0.001°
• γ: 90°
• Cell volume: 1840.43 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No